Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HSP90AA1 | P07900 | 1/20 | 0.43 |
| ▸ | HSP90AB1 | P08238 | 1/20 | 0.43 |
| ▸ | CNR1 | P21554 | 1/20 | 0.40 |
| ▸ | CRHR1 | P34998 | 8/20 | 0.39 |
| ▸ | KCNJ6 | P48051 | 1/20 | 0.37 |
| ▸ | KCNJ5 | P48544 | 1/20 | 0.37 |
| ▸ | KCNJ3 | P48549 | 1/20 | 0.37 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.36 |
| ▸ | GRM5 | P41594 | 2/20 | 0.35 |
| ▸ | HTR2A | P28223 | 1/20 | 0.35 |
| ▸ | HTR2C | P28335 | 1/20 | 0.35 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.34 |
| ▸ | PIK3CA | P42336 | 1/20 | 0.34 |
| ▸ | MAPK8 | P45983 | 1/20 | 0.34 |
| ▸ | MAPK9 | P45984 | 1/20 | 0.34 |
| ▸ | MAPK10 | P53779 | 1/20 | 0.34 |
| ▸ | CTSA | P10619 | 1/20 | 0.34 |
| ▸ | POLB | P06746 | 1/20 | 0.33 |
| ▸ | HPGD | P15428 | 1/20 | 0.33 |
| ▸ | TSHR | P16473 | 1/20 | 0.33 |
Click a target to see other patent compounds predicted against it — the reverse direction, in place.
Similar compounds — the chemically nearest patent molecules
Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.
| Compound | similarity | top predicted | shared targets | |
|---|---|---|---|---|
| SCHEMBL19936425 | 0.83 | HSP90AA1 (0.46) | HSP90AA1HSP90AB1CNR1CRHR1ALDH1A1 | |
| SCHEMBL3435955 | 0.78 | CNR1 (0.43) | HSP90AA1HSP90AB1CNR1CRHR1ALDH1A1 | |
| SCHEMBL19936673 | 0.68 | HSP90AA1 (0.40) | HSP90AA1HSP90AB1CNR1CRHR1ALDH1A1 | |
| SCHEMBL19936649 | 0.68 | HSP90AA1 (0.38) | HSP90AA1HSP90AB1CRHR1ALDH1A1GRM5 | |
| SCHEMBL19936669 | 0.68 | ACHE (0.40) | CNR1CRHR1ALDH1A1POLBHPGD | |
| SCHEMBL19936685 | 0.67 | CRHR1 (0.41) | HSP90AA1HSP90AB1CNR1CRHR1ALDH1A1 | |
| SCHEMBL3436656 | 0.67 | HSP90AA1 (0.46) | HSP90AA1HSP90AB1CRHR1ALDH1A1 | |
| SCHEMBL28043935 | 0.66 | HSP90AA1 (0.69) | HSP90AA1HSP90AB1ALDH1A1 | |
| SCHEMBL19936632 | 0.66 | HSP90AA1 (0.45) | HSP90AA1HSP90AB1CRHR1GRM5 | |
| SCHEMBL2609340 | 0.65 | HSP90AA1 (0.50) | HSP90AA1HSP90AB1CNR1CRHR1ALDH1A1 |
Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.
Patent provenance — the patents this molecule appears in, and who filed them
Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2594555-B1 | HETEROCYCLIC COMPOUND, AND p27 KIP1 DEGRADATION INHIBITOR | ASKA PHARM CO LTD (JP) | 2018-03-07 | — | — | EP | disclosed |